FragNet: A Graph Neural Network for Molecular Property Prediction with Four Layers of Interpretability

Gihan Panapitiya, P Gao, C M Maupin and E G Saldanha

arXiv arXiv:2410.12156

Impact of Molecular Representations on Deep Learning Model Comparisons in Drug Response Predictions

Gihan Panapitiya, Rajeev Jain, Carter Knuston, Andrew McNaughton, Justin M Wozniak, Thomas Brettin, Rick Stevens, Neeraj Kumar

ChemRxiv

Outlier-Based Domain of Applicability Identification for Materials Property Prediction Models

Gihan Panapitiya, Emily Saldanha

arXiv arXiv:2302.06454

Machine-learning Prediction of CO Adsorption in Thiolated Ag-alloyed Au Nanoclusters

Gihan Panapitiya, Guillermo Avendaño-Franco, Pengju Ren, Xiaodong Wen, Yongwang Li and James P. Lewis

JACS Journal of the American Chemical Society 140 (50) 17508–17514 — Cover page

Structural and catalytic properties of the Au_25-xAg_x(SCH₃)₁₈ (x = 6, 7, 8) Nanocluster

Gihan Panapitiya, Hong Wang, Yuxiang Chen, Ejas Hussain, Rongchao Jin, James P Lewis

PCCP Physical Chemistry Chemical Physics 20 (20), 13747–13756

Controlling Ag-doping in [Ag_xAu_25-x(SC₆H₁₁)₁₈]⁻ nanoclusters: cryogenic optical, electronic and electrocatalytic properties

Renxi Jin, Shuo Zhao, Chong Liu, Meng Zhou, Gihan Panapitiya, Yan Xing, Nathaniel L. Rosi, James P. Lewis and Rongchao Jin

Nanoscale Nanoscale 9 (48), 19183–19190

Optical absorption and disorder in delafossites

Tess R. Senty, Barry Haycock, Jonathan Lekse, Christopher Matranga, Hong Wang, Gihan Panapitiya, Alan D. Bristow, and James P. Lewis

APL Applied Physics Letters 111 (1), 012102

Slow Relaxation of Surface Plasmon Excitations in Au55: The Key to Efficient Plasmonic Heating in Au/TiO₂

Oshadha Ranasingha, Hong Wang, Vladimír Zobač, Pavel Jelínek, Gihan Panapitiya, Amanda J. Neukirch, Oleg V. Prezhdo, and James P. Lewis

JPCL The Journal of Physical Chemistry Letters 7 (8), 1563–1569

Monte Carlo Simulation of Polymer Solar Cells

Gihan Panapitiya and K.A.I.L. Wijewardena Gamalath

TJPRC